# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt
# implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1
# composition = Cu2Pt
# NOTE: These values are for static, unrelaxed structures and use the ideal
# b/a and c/a ratios for the crystal structure, not the potential-specific
# values.

# Calculations from the NIST Interatomic Potential Repository Project:
# http://www.ctcms.nist.gov/potentials/

# Table generated 2026-08-31

r    C1--CaF2--fluori 
0.50  nan             
0.52  nan             
0.54  nan             
0.56  nan             
0.58  nan             
0.60  nan             
0.62  nan             
0.64  nan             
0.66  nan             
0.68  nan             
0.70  nan             
0.72  nan             
0.74  nan             
0.76  nan             
0.78  4.373874112e+06 
0.80  3.947813184e+06 
0.82  3.563169535e+06 
0.84  3.215114809e+06 
0.86  2.899468143e+06 
0.88  2.612577697e+06 
0.90  2.351298886e+06 
0.92  2.112944402e+06 
0.94  1.895119731e+06 
0.96  1.695710265e+06 
0.98  1.512824601e+06 
1.00  1.344852741e+06 
1.02  1.190337396e+06 
1.04  1.047994091e+06 
1.06  9.166843059e+05 
1.08  7.953766697e+05 
1.10  6.831855432e+05 
1.12  5.793173469e+05 
1.14  4.833102316e+05 
1.16  3.986639138e+05 
1.18  3.247112603e+05 
1.20  2.594193689e+05 
1.22  2.024030768e+05 
1.24  1.576061416e+05 
1.26  1.229298567e+05 
1.28  9.603295357e+04 
1.30  7.513246623e+04 
1.32  5.886068491e+04 
1.34  4.616761791e+04 
1.36  3.625152387e+04 
1.38  2.849341261e+04 
1.40  2.241448958e+04 
1.42  1.764607098e+04 
1.44  1.390177662e+04 
1.46  1.095760694e+04 
1.48  8.639901798e+03 
1.50  6.814041739e+03 
1.52  5.374889152e+03 
1.54  4.239972716e+03 
1.56  3.344506783e+03 
1.58  2.637812967e+03 
1.60  2.079975467e+03 
1.62  1.639548924e+03 
1.64  1.291843537e+03 
1.66  1.017377931e+03 
1.68  8.007480028e+02 
1.70  6.298023067e+02 
1.72  4.949601079e+02 
1.74  3.886447579e+02 
1.76  3.048636936e+02 
1.78  2.388519964e+02 
1.80  1.868528406e+02 
1.82  1.459212842e+02 
1.84  1.137242886e+02 
1.86  8.842048832e+01 
1.88  6.855164004e+01 
1.90  5.296356519e+01 
1.92  4.074340502e+01 
1.94  3.116812050e+01 
1.96  2.366426780e+01 
1.98  1.778670558e+01 
2.00  1.318442722e+01 
2.02  9.580907479e+00 
2.04  6.758627804e+00 
2.06  4.546541206e+00 
2.08  2.810412066e+00 
2.10  1.445120060e+00 
2.12  3.685342463e-01 
2.14 -4.833580889e-01 
2.16 -1.160326396e+00 
2.18 -1.700961353e+00 
2.20 -2.134990997e+00 
2.22 -2.485351296e+00 
2.24 -2.769713883e+00 
2.26 -3.001659002e+00 
2.28 -3.191599479e+00 
2.30 -3.347506552e+00 
2.32 -3.475478279e+00 
2.34 -3.580183116e+00 
2.36 -3.665199699e+00 
2.38 -3.733285007e+00 
2.40 -3.786590993e+00 
2.42 -3.826814304e+00 
2.44 -3.855315707e+00 
2.46 -3.873210278e+00 
2.48 -3.881434821e+00 
2.50 -3.880785876e+00 
2.52 -3.871908699e+00 
2.54 -3.855441268e+00 
2.56 -3.831984696e+00 
2.58 -3.802104067e+00 
2.60 -3.766336963e+00 
2.62 -3.725101580e+00 
2.64 -3.678773658e+00 
2.66 -3.627819548e+00 
2.68 -3.572690509e+00 
2.70 -3.513822669e+00 
2.72 -3.451636675e+00 
2.74 -3.386537110e+00 
2.76 -3.318911817e+00 
2.78 -3.249131224e+00 
2.80 -3.177547751e+00 
2.82 -3.104495335e+00 
2.84 -3.030268942e+00 
2.86 -2.955112922e+00 
2.88 -2.879301642e+00 
2.90 -2.803093346e+00 
2.92 -2.726727817e+00 
2.94 -2.650426738e+00 
2.96 -2.574394146e+00 
2.98 -2.498816961e+00 
3.00 -2.423865594e+00 
3.02 -2.349694599e+00 
3.04 -2.276443367e+00 
3.06 -2.204208740e+00 
3.08 -2.132945524e+00 
3.10 -2.062728127e+00 
3.12 -1.993643634e+00 
3.14 -1.925768435e+00 
3.16 -1.859168916e+00 
3.18 -1.793902126e+00 
3.20 -1.730016436e+00 
3.22 -1.667552162e+00 
3.24 -1.606542170e+00 
3.26 -1.547012461e+00 
3.28 -1.488982715e+00 
3.30 -1.432466824e+00 
3.32 -1.377469492e+00 
3.34 -1.323949779e+00 
3.36 -1.271896251e+00 
3.38 -1.221306716e+00 
3.40 -1.172175385e+00 
3.42 -1.124493238e+00 
3.44 -1.078248353e+00 
3.46 -1.033426221e+00 
3.48 -9.900100351e-01 
3.50 -9.479809607e-01 
3.52 -9.073183866e-01 
3.54 -8.680001556e-01 
3.56 -8.300027784e-01 
3.58 -7.933016302e-01 
3.60 -7.578711314e-01 
3.62 -7.236849136e-01 
3.64 -6.907159712e-01 
3.66 -6.589368000e-01 
3.68 -6.283195230e-01 
3.70 -5.988360051e-01 
3.72 -5.704579568e-01 
3.74 -5.431570278e-01 
3.76 -5.169048915e-01 
3.78 -4.916733204e-01 
3.80 -4.674342541e-01 
3.82 -4.441598591e-01 
3.84 -4.218225827e-01 
3.86 -4.003951995e-01 
3.88 -3.798508531e-01 
3.90 -3.601630920e-01 
3.92 -3.413059001e-01 
3.94 -3.232537240e-01 
3.96 -3.059814949e-01 
3.98 -2.894646474e-01 
4.00 -2.736791349e-01 
4.02 -2.586014417e-01 
4.04 -2.442085927e-01 
4.06 -2.304781597e-01 
4.08 -2.173882666e-01 
4.10 -2.049175914e-01 
4.12 -1.930453671e-01 
4.14 -1.817513807e-01 
4.16 -1.710159708e-01 
4.18 -1.608200235e-01 
4.20 -1.511449678e-01 
4.22 -1.419727694e-01 
4.24 -1.332859241e-01 
4.26 -1.250674499e-01 
4.28 -1.173008785e-01 
4.30 -1.099702471e-01 
4.32 -1.030549741e-01 
4.34 -9.648324831e-02 
4.36 -9.022707201e-02 
4.38 -8.427523593e-02 
4.40 -7.861689559e-02 
4.42 -7.324156208e-02 
4.44 -6.813909285e-02 
4.46 -6.329968260e-02 
4.48 -5.871385415e-02 
4.50 -5.437244955e-02 
4.52 -5.026662251e-02 
4.54 -4.638782529e-02 
4.56 -4.272780208e-02 
4.58 -3.927858134e-02 
4.60 -3.603246724e-02 
4.62 -3.298203116e-02 
4.64 -3.011985794e-02 
4.66 -2.743883226e-02 
4.68 -2.493257030e-02 
4.70 -2.259480301e-02 
4.72 -2.041922121e-02 
4.74 -1.839993436e-02 
4.76 -1.653126887e-02 
4.78 -1.480770510e-02 
4.80 -1.322388506e-02 
4.82 -1.177461749e-02 
4.84 -1.045488069e-02 
4.86 -9.259823592e-03 
4.88 -8.184765252e-03 
4.90 -7.225193142e-03 
4.92 -6.376760413e-03 
4.94 -5.635282366e-03 
4.96 -4.996732291e-03 
4.98 -4.457237070e-03 
5.00 -3.983444256e-03 
5.02 -3.543506823e-03 
5.04 -3.135966592e-03 
5.06 -2.759427141e-03 
5.08 -2.412551224e-03 
5.10 -2.094058482e-03 
5.12 -1.802723209e-03 
5.14 -1.537372171e-03 
5.16 -1.296882483e-03 
5.18 -1.080179554e-03 
5.20 -8.862350902e-04 
5.22 -7.140651687e-04 
5.24 -5.627283762e-04 
5.26 -4.313240139e-04 
5.28 -3.189903685e-04 
5.30 -2.249030492e-04 
5.32 -1.482733888e-04 
5.34 -8.834690719e-05 
5.36 -4.440183730e-05 
5.38 -1.574771014e-05 
5.40 -1.723998553e-06 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00